Chemical Properties of Dinaphtho[1,2,3-fg!3',2',1'-qr]pentacene (CAS 128720-98-9)

InChI

InChI=1S/C36H20/c1-5-13-25-21(9-1)17-30-31-19-23-11-2-6-14-26(23)33-27-15-7-4-12-24(27)20-32(36(31)33)34-28-16-8-3-10-22(28)18-29(25)35(30)34/h1-20H

InChI Key

LKZJAHUGJPUPEG-UHFFFAOYSA-N

Formula

C36H20

SMILES

c1ccc2c(c1)cc1c3cc4ccccc4c4c5ccccc5cc(c5c6ccccc6cc2c15)c34

Molecular Weight¹

452.54

CAS

128720-98-9

Other Names

• Dinaphtho[1,2,3-fg:3',2',1'-qr]pentacene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1176.28; 1494.99]	J/mol×K	[1228.96; 1519.56]
Cp,gas	1176.28	J/mol×K	1228.96	Joback Calculated Property
Cp,gas	1215.08	J/mol×K	1277.39	Joback Calculated Property
Cp,gas	1258.73	J/mol×K	1325.83	Joback Calculated Property
Cp,gas	1307.88	J/mol×K	1374.26	Joback Calculated Property
Cp,gas	1363.20	J/mol×K	1422.69	Joback Calculated Property
Cp,gas	1425.35	J/mol×K	1471.13	Joback Calculated Property
Cp,gas	1494.99	J/mol×K	1519.56	Joback Calculated Property
η	[0.0184013; 0.0228438]	Pa×s	[877.42; 1228.96]
η	0.0228438	Pa×s	877.42	Joback Calculated Property
η	0.0217879	Pa×s	936.01	Joback Calculated Property
η	0.0208971	Pa×s	994.60	Joback Calculated Property
η	0.0201359	Pa×s	1053.19	Joback Calculated Property
η	0.0194785	Pa×s	1111.78	Joback Calculated Property
η	0.0189053	Pa×s	1170.37	Joback Calculated Property
η	0.0184013	Pa×s	1228.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dinaphtho[1,2,3-fg!3',2',1'-qr]pentacene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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